Spektraris NMR
7a-Butoxyethoxy-12-hydroxyabieta-6a-yl
Common Name: 7a-Butoxyethoxy-12-hydroxyabieta-6a-yl
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H68O4/c1-12-13-22-48-23-24-49-40-34-26-32(29(2)3)37(47)27-36(34)46(11)21-15-19-44(8,9)42(46)41(40)50-38-28-35-31(25-33(38)30(4)5)16-17-39-43(6,7)18-14-20-45(35,39)10/h16-17,25-30,39-42,47H,12-15,18-24H2,1-11H3/t39?,40-,41-,42-,45+,46+/m0/s1
InChIKey: InChIKey=IVENDBLQCBPCGR-ZOMLDCPPSA-N
Formula: C46H68O4
Molecular Weight: 685.031442
Exact Mass: 684.511761
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hsieh, C.L., Tseng, M.H., Kuo, Y.H. Chem Pharm Bull (2005) 53, 1463-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 39.6 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 42.8 |
| 4 (C) | 34.3 |
| 5 (CH) | 55.9 |
| 6 (CH) | 78.2 |
| 7 (CH) | 80.5 |
| 8 (C) | 125 |
| 9 (C) | 150.8 |
| 10 (C) | 38 |
| 11 (CH) | 110.4 |
| 12 (C) | 153.1 |
| 13 (C) | 130.7 |
| 14 (CH) | 129.5 |
| 15 (CH) | 26.6 |
| 16 (CH3) | 22.7 |
| 17 (CH3) | 22.9 |
| 18 (CH3) | 34.9 |
| 19 (CH3) | 22.5 |
| 20 (CH3) | 24.7 |
| 1' (CH2) | 36.2 |
| 2' (CH2) | 19.1 |
| 3' (CH2) | 41.1 |
| 4' (C) | 32.9 |
| 5' (CH) | 51.1 |
| 6' (CH) | 127.4 |
| 7' (CH) | 127.3 |
| 8' (C) | 125.6 |
| 9' (C) | 147 |
| 10' (C) | 38.2 |
| 11' (CH) | 106.6 |
| 12' (C) | 153.1 |
| 13' (C) | 135 |
| 14' (CH) | 124.7 |
| 15' (CH) | 25.7 |
| 16' (CH3) | 23.1 |
| 17' (CH3) | 23.1 |
| 18' (CH3) | 32.6 |
| 19' (CH3) | 22.6 |
| 20' (CH3) | 20.4 |
| 7a (CH2) | 70 |
| 7b (CH2) | 66.4 |
| 7c (CH2) | 71 |
| 7d (CH2) | 31.7 |
| 7e (CH2) | 19.2 |
| 7f (CH3) | 13.9 |
